Ion traps can easily be miniaturized to become portable mass spectrometers. Trapped ions can be ejected by adjusting voltage settings of the radiofrequency (RF) signal applied to the electrodes. Several ion trap designs include the quadrupole ion trap (QIT), cylindrical ion trap (CIT), linear ion trap (LIT), rectilinear ion trap (RIT), toroidal ion trap, and cylindrical toroidal ion trap. Although toroidal ion traps are being used more widely in miniaturized mass spectrometers, there is a lack of fundamental understanding of how the toroidal electric field affects ion motion, and therefore, the ion trap's performance as a mass analyzer. Simulation programs can be used to discover how traps with toroidal geometry can be optimized. Potential mapping, field calculations, and simulations of ion motion were used to compare three types of toroidal ion traps: a symmetric and an asymmetric trap made using hyperbolic electrodes, and a simplified trap made using cylindrical electrodes. Toroidal harmonics, which represent solutions to the Laplace equation in a toroidal coordinate system, may be useful to understand toroidal ion traps. Ion trapping and ion motion simulations were performed in a time-varying electric potential representing the symmetric, second-order toroidal harmonic of the second kind—the solution most analogous to the conventional, Cartesian quadrupole. This potential distribution, which we call the toroidal quadrupole, demonstrated non-ideal features in the stability diagram of the toroidal quadrupole which were similar to that for conventional ion traps with higher-order field contributions. To eliminate or reduce these non-ideal features, other solutions to the Laplace equation can be added to the toroidal quadrupole, namely the toroidal dipole, toroidal hexapole, toroidal octopole, and toroidal decapole. The addition of a toroidal hexapole component to the toroidal quadrupole provides improvement in ion trapping, and is expected to play an important role in optimizing the performance of all types of toroidal ion trap mass spectrometers.The cylindrical toroidal ion trap has been miniaturized for a portable mass spectrometer. The first miniaturized version (r0 and z0 reduced by 1/3) used the same central electrode and alignment sleeve as the original design, but it had too high of capacitance for the desired RF frequency. The second miniaturized version (R, r0, and z0 reduced by 1/3) was designed with much less capacitance, but several issues including electrode alignment and sample pressure control caused the mass spectra to have poor resolution. The third miniaturized design used a different alignment method, and its efficiency still needs to be improved.

Using experimental techniques along with computational fluid dynamics and electrodynamic simulations the performance of the first of three focusing elements in an electrospray macromolecular patterning system was assessed. The performance of this element, the ion funnel, was analyzed by varying the parameters and electric field applied to the system including electrospray emitter to atmosphere-vacuum interface capillary distance, temperature of the desolvating heater, injection rate of solution and the voltage applied to the jet disruption element. Results indicated that processes involved in injecting larger droplets into the chamber resulted in a less effective transmission of the ions through the funnel. Droplet diameter was increased by increasing flow rate and was decreased by increasing the desolvation heater. Varying the voltage applied to the jet disrupting element indicated a peak transmission voltage, when using a 20 mil interface capillary,of 175 V and when using the 30 mil capillary of 180 V. Numerical simulations were in agreement with these values although the widths of these transmission curves were much narrower than the experimental curves.

This study focuses on novel approaches to the modeling and construction of devices used in ion beam and vacuum systems. Turbulent computational fluid dynamics simulations were performed to model the air flow into an ion funnel system. The results of these simulations were coupled one-way with electrodynamics simulations of the fields generated by the ion funnel. Using the turbulence kinetic energy (k), a spatially varying estimation of the fluctuating component of the velocity field was calculated. These resulting simulations more accurately predicted the ion transmission through the system. Using fused deposition modeling (FDM) novel construction methods for the ion funnel and the vacuum chamber components the ion funnel system utilizes were developed. An FDM fabricated frame, in the shape of the ion funnel, was quickly and inexpensively produced. This frame supported a flexible printed circuit board that served as both the lenses of the ion funnel and power distribution circuit. The transmission of ions was as good as the traditionally constructed ion funnel. The device cost and weighed less and had lower intrinsic impedance, requiring less power to be driven. FDM was also used to produce vacuum components by post-processing using electroplating. Initial tests to determine whether electroplating would adequately produce a hermetic seal for vacuum components were performed. It was observed that thinner plated components could not withstand the stresses required from the gaskets and flanges to adequately seal, subsequently cracking. Thicker samples adequately sealed against atmosphere and maintained this seal over the entire test period. A proof of concept KF-25 full nipple was produced and processed using electroplating. The device was able to reach and ultimate pressure of 1 x 10-6 Torr, however, it was not able to reach the ultimate pressure of the chamber, which was 5 x 10-7 Torr due to the inability to be adequately cleaned of contaminant water.

La future installation SPIRAL2 du GANIL, à Caen, permettra de produire une gamme étendue de noyaux exotiques avec des intensités très importantes. Cependant, ces faisceaux ne pourront pas être directement utilisés pour réaliser certaines études de haute précision et devront d'abord être purifiés. C'est pour réaliser ce travail que des équipes du CENBG, du MPIK (Heidelberg), du CSNSM, du LPC Caen, du GANIL et de l'IPNO développent un double-piège de Penning dans le cadre du projet PIPERADE. Ce double-piège nécessitant un travail de mise en forme préalable du faisceau (diminution de l'émittance transverse et mise en paquet), le CENBG est en charge de la réalisation d'un refroidisseur-regroupeur quadripolaire radiofréquence : le GPIB. C'est ce développement qui a constitué la majeure partie de mon travail de thèse, notamment en ce qui concerne les simulations de ce refroidisseur-regroupeur dont les résultats ont permis de trouver une méthode innovante pour la mise en paquet et de valider sa conception mécanique. Nous disposons également d'une source d'ions afin de pouvoir tester le GPIB et le double-piège et il m'a fallu la remonter, la comprendre et la caractériser pour que ces tests soient ensuite possibles. Dans un second temps j'ai aussi participer à l'analyse de l'expérience E622S menée au GANIL et qui avait pour but de déterminer précisément la demi-vie de 17F. Ce travail n'a pas permis d'améliorer la précision sur la demi-vie de 17F mais nous avons cependant quelques doutes sur les 2 précédentes mesures et sur leur détermination du taux de contamination de leurs échantillons. / The future SPIRAL2 installation of GANIL, at Caen, will produce large range of exotic nuclei with very high intensities. Nevertheless, these beams could not be used directly for some high precision studies and will have to be purified first. To achieve this work, teams of CENBG, MPIK (Heidelberg), CSNSM, LPC Caen, GANIL and IPNO develop a double Penning trap in the framework of the PIPERADE project. Because this double Penning-trap needs some shaping work (reduction of transverse emittance and bunching), the CENBG team is in charge of the realisation of a radio-frequency quadrupole cooler and buncher : the GPIB. This developpement work was the main part of my PhD work, especially for the simulations of this cooler buncher whose results lead us to find a new bunching method and allowed us to approve its mechanical design. We also have an ion source to be able to test both GPIB and Penning trap and I had to reassemble it, to understand it and to characterise it before these tests could be achieved. In a second time I also took part to the analysis of the E622S experiment which aimed to determined precisely the 17F half-life. This work did not lead to a more precise determination of this half-life but we now have some doubts concerning the 2 last measurements and their way to determine the contamination rate of their radioactive samples.

Ce mémoire de thèse traite de l'étude de jonctions pn silicium planaires, réalisées par épitaxie localisée, avec un nouveau type de microscopie à émission de photoélectrons (XPEEM) filtré en énergie. L'objectif est d'améliorer notre compréhension des facteurs influençant l'imagerie XPEEM de jonctions modèles avec une perspective à plus long terme d'application de cette technique aux cas réels.Sur les trois types de jonction réalisées présentant des champs électriques variables (P+/P, N+/P, P+/N), nous avons d'abord mis en œuvre un procédé de passivation en trois étapes afin de se rapprocher de conditions en bandes plates en surface. Ce procédé nous a permis d'étudier la position des niveaux électroniques de part et d'autre des jonctions grâce à une imagerie en XPEEM spectroscopique avec électrons secondaires (travail de sortie local), électrons de cœur Si 2p et bande de valence, avec à la fois avec des sources X de laboratoire et le rayonnement synchrotron. Un mécanisme de contraste des images en électrons de cœur dû à la toute première couche atomique de surface a été montré. Ensuite, nous avons mis en évidence le rôle du champ électrique au niveau de la zone de déplétion des jonctions qui décale la position apparente de cette dernière dans l'image XPEEM. Nous avons comparé les résultats expérimentaux avec des simulations (logiciel SIMION) afin d'estimer son influence sur les conditions d'imagerie. Enfin, nous avons étudié l'impact de la technique d'imagerie en champ sombre sur la localisation de la jonction réelle au niveau de la surface de l'échantillon. / This thesis addresses the problem of imaging of model systems planar silicon pn junctions, fabricated by localized epitaxy, using the novel energy-filtered X-ray PhotoElectron Emission Microscope (XPEEM). The objective is to improve the understanding of the phenomena influencing the XPEEM images of the junctions, with as long-term perspective, a possible application of this method in a complementary way to existing techniques of 2D dopant mapping.The studies were carried out over three types of junction realized to this purpose and presenting variable electrical field (P+/P, N+/P, P+/N). We firstly developed and optimized a passivation protocol in three-steps which yielded a surface close to flat band conditions. This process allowed us to deduce band alignments as a function of doping level and type on both side of the junction thanks to spectroscopic XPEEM imaging of secondary electrons (to determine local work function), Si 2p core-level and valence band with both laboratory photon sources and synchrotron radiation. Contrast in core-level imaging due to the first atomic layer of the surface was also shown.Then, we highlighted the role of the lateral electric field across the depletion zone of a pn junction which shifts the apparent position of the latter in PEEM imaging. We compared experimental results and simulations performed with SIMION software to estimate the influence of pn junctions on PEEM imaging. Dark field imaging of the junction was also simulated. Comparison with the experimental results showed that it can be used to localize the real junction.

Today, over 15,000 Ion Mobility Spectrometry (IMS) analyzers are employed at worldwide security checkpoints to detect explosives and illicit drugs. Current portal IMS instruments and other electronic nose technologies detect explosives and drugs by analyzing samples containing the headspace air and loose particles residing on a surface. Canines can outperform these systems at sampling and detecting the low vapor pressure explosives and drugs, such as RDX, PETN, cocaine, and MDMA, because these biological detectors target the volatile signature compounds available in the headspace rather than the non-volatile parent compounds of explosives and drugs. In this dissertation research volatile signature compounds available in the headspace over explosive and drug samples were detected using SPME as a headspace sampling tool coupled to an IMS analyzer. A Genetic Algorithm (GA) technique was developed to optimize the operating conditions of a commercial IMS (GE Itemizer 2), leading to the successful detection of plastic explosives (Detasheet, Semtex H, and C-4) and illicit drugs (cocaine, MDMA, and marijuana). Short sampling times (between 10 sec to 5 min) were adequate to extract and preconcentrate sufficient analytes (> 20 ng) representing the volatile signatures in the headspace of a 15 mL glass vial or a quart-sized can containing ≤ 1 g of the bulk explosive or drug. Furthermore, a research grade IMS with flexibility for changing operating conditions and physical configurations was designed and fabricated to accommodate future research into different analytes or physical configurations. The design and construction of the FIU-IMS were facilitated by computer modeling and simulation of ion’s behavior within an IMS. The simulation method developed uses SIMION/SDS and was evaluated with experimental data collected using a commercial IMS (PCP Phemto Chem 110). The FIU-IMS instrument has comparable performance to the GE Itemizer 2 (average resolving power of 14, resolution of 3 between two drugs and two explosives, and LODs range from 0.7 to 9 ng). The results from this dissertation further advance the concept of targeting volatile components to presumptively detect the presence of concealed bulk explosives and drugs by SPME-IMS, and the new FIU-IMS provides a flexible platform for future IMS research projects.

A retarding potential analyzer (RPA) is being developed at the Swedish Institute of Space Physics to build expertise in designing plasma particle instruments measuring currents. This thesis presents the results of the project. First, a literature survey of RPAs was conducted to support the IRF’s working group in critical design choices. Subsequently, a 3D CAD model was designed by the mechanical engineering department. This model was used to perform ion optical simulations to investigate the behavior of the instrument. The simulations showed that potentials at the walls drastically affect the trajectories of charged particles in the instrument. Consequently, the instrument’s response diverges from simple analytical models. An effort was made to adapt these models to better describe the observed response. The instrument was also manufactured from the computeraided design (CAD) model by the institute’s own workshop. After fit-checking and thorough cleaning, the parts were assembled in a clean environment. Subsequently, the instrument was tested with an ion beam in the IRF’s vacuum chamber. The instrument exhibited an extremely low noise level and was successfully used to measure the ion beam. The measurements confirmed the instrument was performing as expected and allowed for an energy analysis of the ion beam. Furthermore, the high temporal resolution of the instrument enabled a closer inspection of fluctuations in the beam current. Overall, the project showed the IRF’s capability to rapidly design, manufacture, integrate, and test plasma instruments. It serves as the basis for future iterations of the instrument, optimizations, advanced simulations, and the development of an ion drift meter to complement the measurements by enabling directional observations.

Ce mémoire de thèse traite de l'étude de jonctions pn silicium planaires, réalisées par épitaxie localisée, avec un nouveau type de microscopie à émission de photoélectrons (XPEEM) filtré en énergie. L'objectif est d'améliorer notre compréhension des facteurs influençant l'imagerie XPEEM de jonctions modèles avec une perspective à plus long terme d'application de cette technique aux cas réels. Sur les trois types de jonction réalisées présentant des champs électriques variables P+/P, N+/P, P+/N), nous avons d'abord mis en oeuvre un procédé de passivation en trois étapes afin de se rapprocher de conditions en bandes plates en surface. Ce procédé nous a permis d'étudier la position des niveaux électroniques de part et d'autre des jonctions grâce à une imagerie en XPEEM spectroscopique avec électrons secondaires (travail de sortie local), électrons de coeur Si 2p et bande de valence, avec à la fois avec des sources X de laboratoire et le rayonnement synchrotron. Un mécanisme de contraste des images en électrons de coeur dû à la toute première couche atomique de surface a été montré. Ensuite, nous avons mis en évidence le rôle du champ électrique au niveau de la zone de déplétion des jonctions qui décale la position apparente de cette dernière dans l'image XPEEM. Nous avons comparé les résultats expérimentaux avec des simulations (logiciel SIMION) afin d'estimer son influence sur les conditions d'imagerie. Enfin, nous avons étudié l'impact de la technique d'imagerie en champ sombre sur la localisation de la jonction réelle au niveau de la surface de l'échantillon.